Vacuum polarization in molecules. I. Uehling interaction

Radiative corrections to electronic structure are characterized by perturbative expansions in $\ensuremath{\alpha}$ and $Z\ensuremath{\alpha}$, where $\ensuremath{\alpha}$ is the fine-structure constant and $Z$ is the nuclear charge. A formulation of the leading-order $\ensuremath{\alpha}(Z\ensuremath{\alpha})$ Uehling contribution to the renormalized vacuum polarization is reported in a form that is convenient for implementation in computational studies of the relativistic electronic structures of molecules. Benchmark calculations based on these methods are reported that include the leading-order vacuum polarization effects within relativistic mean-field methods for the $\mathrm{E}{119}^{+}$ ion and the closed-shell diatomic species E119F.

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Publication Details

Journal
Physical review. A/Physical review, A
Published
2025-04-08
DOI
https://doi.org/10.1103/physreva.111.042810
Citations
4
Primary Topic
Advanced Chemical Physics Studies
Type
article
Field-Weighted Citation Impact
4.99
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article

Vacuum polarization in molecules. I. Uehling interaction

I. P. Grant, Harry M. Quiney, Donal Flynn
4 citations
Physical review. A/Physical review, A
Advanced Chemical Physics Studies
4.99
article

Vacuum polarization in molecules. I. Uehling interaction

I. P. Grant, Harry M. Quiney, Donal Flynn
article en
4 citations

Abstract

Radiative corrections to electronic structure are characterized by perturbative expansions in $\ensuremath{\alpha}$ and $Z\ensuremath{\alpha}$, where $\ensuremath{\alpha}$ is the fine-structure constant and $Z$ is the nuclear charge. A formulation of the leading-order $\ensuremath{\alpha}(Z\ensuremath{\alpha})$ Uehling contribution to the renormalized vacuum polarization is reported in a form that is convenient for implementation in computational studies of the relativistic electronic structures of molecules. Benchmark calculations based on these methods are reported that include the leading-order vacuum polarization effects within relativistic mean-field methods for the $\mathrm{E}{119}^{+}$ ion and the closed-shell diatomic species E119F.

Physical review. A/Physical review, AVol. 111(4)
The University of Melbourne (AU), University of Cambridge (GB), University of Oxford (GB)
Openalex Percentile: Top 5%
Advanced Chemical Physics Studies
4.99
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